Compile Data Set for Download or QSAR

Found 2511 hits with Last Name = 'wijkmans' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184539 ((2S)-2-(6-butyl-2-(4-(4-(trifluoromethyl)phenyl)-1...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H39F3N6O2/c1-5-7-9-23-17-26(36-24(16-20(3)4)27(39)33-14-8-15-40-6-2)37-28(35-23)38-18-25(34-19-38)21-10-12-22(13-11-21)29(30,31)32/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,33,39)(H,35,36,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184530 ((2S)-2-(6-butyl-2-(4-(4-(trifluoromethoxy)phenyl)-...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H39F3N6O3/c1-5-7-9-22-17-26(36-24(16-20(3)4)27(39)33-14-8-15-40-6-2)37-28(35-22)38-18-25(34-19-38)21-10-12-23(13-11-21)41-29(30,31)32/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,33,39)(H,35,36,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184531 ((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...) Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H37F3N6O3/c1-5-8-21-16-25(35-23(15-19(3)4)26(38)32-13-7-14-39-6-2)36-27(34-21)37-17-24(33-18-37)20-9-11-22(12-10-20)40-28(29,30)31/h9-12,16-19,23H,5-8,13-15H2,1-4H3,(H,32,38)(H,34,35,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184518 ((2S)-2-(6-butyl-2-(4-(4-chlorophenyl)-1H-imidazol-...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H39ClN6O2/c1-5-7-9-23-17-26(33-24(16-20(3)4)27(36)30-14-8-15-37-6-2)34-28(32-23)35-18-25(31-19-35)21-10-12-22(29)13-11-21/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,30,36)(H,32,33,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184527 ((2S)-2-(6-butyl-2-(4-(4-hydroxyphenyl)-1H-imidazol...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C28H40N6O3/c1-5-7-9-22-17-26(32-24(16-20(3)4)27(36)29-14-8-15-37-6-2)33-28(31-22)34-18-25(30-19-34)21-10-12-23(35)13-11-21/h10-13,17-20,24,35H,5-9,14-16H2,1-4H3,(H,29,36)(H,31,32,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184540 ((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...) Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C28H37F3N6O3/c1-5-9-21-16-25(35-23(14-19(3)4)26(38)32-12-8-13-39-6-2)36-27(34-21)37-17-24(33-18-37)20-10-7-11-22(15-20)40-28(29,30)31/h7,10-11,15-19,23H,5-6,8-9,12-14H2,1-4H3,(H,32,38)(H,34,35,36)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184536 ((2S)-2-(6-butyl-2-(4-(4-fluorophenyl)-1H-imidazol-...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H39FN6O2/c1-5-7-9-23-17-26(33-24(16-20(3)4)27(36)30-14-8-15-37-6-2)34-28(32-23)35-18-25(31-19-35)21-10-12-22(29)13-11-21/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,30,36)(H,32,33,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184535 ((2S)-2-(6-butyl-2-(4-p-tolyl-1H-imidazol-1-yl)pyri...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(C)cc1 Show InChI InChI=1S/C29H42N6O2/c1-6-8-10-24-18-27(33-25(17-21(3)4)28(36)30-15-9-16-37-7-2)34-29(32-24)35-19-26(31-20-35)23-13-11-22(5)12-14-23/h11-14,18-21,25H,6-10,15-17H2,1-5H3,(H,30,36)(H,32,33,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184521 ((2S)-2-(6-butyl-2-(4-(4-methoxyphenyl)-1H-imidazol...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C29H42N6O3/c1-6-8-10-23-18-27(33-25(17-21(3)4)28(36)30-15-9-16-38-7-2)34-29(32-23)35-19-26(31-20-35)22-11-13-24(37-5)14-12-22/h11-14,18-21,25H,6-10,15-17H2,1-5H3,(H,30,36)(H,32,33,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184523 ((2S)-2-(6-butyl-2-(4-(4-cyanophenyl)-1H-imidazol-1...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H39N7O2/c1-5-7-9-24-17-27(34-25(16-21(3)4)28(37)31-14-8-15-38-6-2)35-29(33-24)36-19-26(32-20-36)23-12-10-22(18-30)11-13-23/h10-13,17,19-21,25H,5-9,14-16H2,1-4H3,(H,31,37)(H,33,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184517 ((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-methyl-2-(4-...) Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(C)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H33F3N6O3/c1-5-37-12-6-11-30-24(36)21(13-17(2)3)33-23-14-18(4)32-25(34-23)35-15-22(31-16-35)19-7-9-20(10-8-19)38-26(27,28)29/h7-10,14-17,21H,5-6,11-13H2,1-4H3,(H,30,36)(H,32,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184537 ((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...) Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C28H37F3N6O3/c1-5-10-20-16-25(35-22(15-19(3)4)26(38)32-13-9-14-39-6-2)36-27(34-20)37-17-23(33-18-37)21-11-7-8-12-24(21)40-28(29,30)31/h7-8,11-12,16-19,22H,5-6,9-10,13-15H2,1-4H3,(H,32,38)(H,34,35,36)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184516 ((2S)-N-(3-ethoxypropyl)-2-(6-ethyl-2-(4-(4-(triflu...) Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(CC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H35F3N6O3/c1-5-20-15-24(34-22(14-18(3)4)25(37)31-12-7-13-38-6-2)35-26(33-20)36-16-23(32-17-36)19-8-10-21(11-9-19)39-27(28,29)30/h8-11,15-18,22H,5-7,12-14H2,1-4H3,(H,31,37)(H,33,34,35)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184524 ((2S)-2-(2-(1H-imidazol-1-yl)-6-(octylthio)pyrimidi...) Show SMILES CCCCCCCCSc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1 Show InChI InChI=1S/C26H44N6O2S/c1-5-7-8-9-10-11-17-35-24-19-23(30-26(31-24)32-15-14-27-20-32)29-22(18-21(3)4)25(33)28-13-12-16-34-6-2/h14-15,19-22H,5-13,16-18H2,1-4H3,(H,28,33)(H,29,30,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184532 ((2S)-2-(6-butyl-2-(4-tert-butyl-1H-imidazol-1-yl)p...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)C(C)(C)C Show InChI InChI=1S/C26H44N6O2/c1-8-10-12-20-16-23(31-25(29-20)32-17-22(28-18-32)26(5,6)7)30-21(15-19(3)4)24(33)27-13-11-14-34-9-2/h16-19,21H,8-15H2,1-7H3,(H,27,33)(H,29,30,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184541 ((2S)-2-(6-butyl-2-(4-methyl-1H-imidazol-1-yl)pyrim...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(C)c1 Show InChI InChI=1S/C23H38N6O2/c1-6-8-10-19-14-21(28-23(26-19)29-15-18(5)25-16-29)27-20(13-17(3)4)22(30)24-11-9-12-31-7-2/h14-17,20H,6-13H2,1-5H3,(H,24,30)(H,26,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184542 ((2S)-2-(6-butyl-2-(4-phenyl-1H-imidazol-1-yl)pyrim...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccccc1 Show InChI InChI=1S/C28H40N6O2/c1-5-7-14-23-18-26(32-24(17-21(3)4)27(35)29-15-11-16-36-6-2)33-28(31-23)34-19-25(30-20-34)22-12-9-8-10-13-22/h8-10,12-13,18-21,24H,5-7,11,14-17H2,1-4H3,(H,29,35)(H,31,32,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184519 ((2S)-2-(2-(1H-imidazol-1-yl)-6-octylpyrimidin-4-yl...) Show SMILES CCCCCCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1 Show InChI InChI=1S/C26H44N6O2/c1-5-7-8-9-10-11-13-22-19-24(31-26(29-22)32-16-15-27-20-32)30-23(18-21(3)4)25(33)28-14-12-17-34-6-2/h15-16,19-21,23H,5-14,17-18H2,1-4H3,(H,28,33)(H,29,30,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184526 ((2S)-2-(6-butyl-2-(4-(4-nitrophenyl)-1H-imidazol-1...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C28H39N7O4/c1-5-7-9-22-17-26(32-24(16-20(3)4)27(36)29-14-8-15-39-6-2)33-28(31-22)34-18-25(30-19-34)21-10-12-23(13-11-21)35(37)38/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,29,36)(H,31,32,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184529 ((2S)-N-(3-ethoxypropyl)-4-methyl-2-(2-(4-(4-(trifl...) Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1ccnc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H31F3N6O3/c1-4-36-13-5-11-29-23(35)20(14-17(2)3)32-22-10-12-30-24(33-22)34-15-21(31-16-34)18-6-8-19(9-7-18)37-25(26,27)28/h6-10,12,15-17,20H,4-5,11,13-14H2,1-3H3,(H,29,35)(H,30,32,33)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184538 ((2S)-N-(3-ethoxypropyl)-2-(6-hexyl-2-(1H-imidazol-...) Show SMILES CCCCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1 Show InChI InChI=1S/C24H40N6O2/c1-5-7-8-9-11-20-17-22(29-24(27-20)30-14-13-25-18-30)28-21(16-19(3)4)23(31)26-12-10-15-32-6-2/h13-14,17-19,21H,5-12,15-16H2,1-4H3,(H,26,31)(H,27,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184528 ((2S)-2-(2-(4-(4-aminophenyl)-1H-imidazol-1-yl)-6-b...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(N)cc1 Show InChI InChI=1S/C28H41N7O2/c1-5-7-9-23-17-26(33-24(16-20(3)4)27(36)30-14-8-15-37-6-2)34-28(32-23)35-18-25(31-19-35)21-10-12-22(29)13-11-21/h10-13,17-20,24H,5-9,14-16,29H2,1-4H3,(H,30,36)(H,32,33,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184525 ((2S)-2-(6-butyl-2-(pyridin-3-yl)pyrimidin-4-ylamin...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-c1cccnc1 Show InChI InChI=1S/C24H37N5O2/c1-5-7-11-20-16-22(29-23(27-20)19-10-8-12-25-17-19)28-21(15-18(3)4)24(30)26-13-9-14-31-6-2/h8,10,12,16-18,21H,5-7,9,11,13-15H2,1-4H3,(H,26,30)(H,27,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184533 ((2S)-2-(6-butyl-2-(1H-imidazol-1-yl)pyrimidin-4-yl...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1 Show InChI InChI=1S/C22H36N6O2/c1-5-7-9-18-15-20(27-22(25-18)28-12-11-23-16-28)26-19(14-17(3)4)21(29)24-10-8-13-30-6-2/h11-12,15-17,19H,5-10,13-14H2,1-4H3,(H,24,29)(H,25,26,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184515 ((S)-2-(6-butyl-2-(pyridin-4-yl)pyrimidin-4-ylamino...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-c1ccncc1 Show InChI InChI=1S/C24H37N5O2/c1-5-7-9-20-17-22(29-23(27-20)19-10-13-25-14-11-19)28-21(16-18(3)4)24(30)26-12-8-15-31-6-2/h10-11,13-14,17-18,21H,5-9,12,15-16H2,1-4H3,(H,26,30)(H,27,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184534 ((2S)-2-(6-tert-butyl-2-(1H-imidazol-1-yl)pyrimidin...) Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(nc(n1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C22H36N6O2/c1-7-30-12-8-9-24-20(29)17(13-16(2)3)25-19-14-18(22(4,5)6)26-21(27-19)28-11-10-23-15-28/h10-11,14-17H,7-9,12-13H2,1-6H3,(H,24,29)(H,25,26,27)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184522 ((2S)-2-(6-butyl-2-(2-methyl-1H-imidazol-1-yl)pyrim...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1C Show InChI InChI=1S/C23H38N6O2/c1-6-8-10-19-16-21(28-23(26-19)29-13-12-24-18(29)5)27-20(15-17(3)4)22(30)25-11-9-14-31-7-2/h12-13,16-17,20H,6-11,14-15H2,1-5H3,(H,25,30)(H,26,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50184520 ((2S)-2-(6-butyl-2-(1H-1,2,4-triazol-1-yl)pyrimidin...) Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cncn1 Show InChI InChI=1S/C21H35N7O2/c1-5-7-9-17-13-19(27-21(25-17)28-15-22-14-24-28)26-18(12-16(3)4)20(29)23-10-8-11-30-6-2/h13-16,18H,5-12H2,1-4H3,(H,23,29)(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Binding affinity to human CXCR2 receptor transfected in CHO cell				Bioorg Med Chem Lett 16: 2724-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.028 BindingDB Entry DOI: 10.7270/Q2KK9BBS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267904 (4-(8-amino-3-{(2R)-4-[(2S)-2-hydroxypropanoyl]morp...) Show SMILES C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24F3N7O4/c1-14(37)25(39)35-10-11-40-18(13-35)23-34-20(21-22(30)32-8-9-36(21)23)15-2-4-16(5-3-15)24(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,14,18,37H,10-11,13H2,1H3,(H2,30,32)(H,31,33,38)/t14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267905 (4-(8-amino-3-{(2R)-4-[(2R)-2-hydroxypropanoyl]morp...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24F3N7O4/c1-39-14-20(37)35-10-11-40-18(13-35)24-34-21(22-23(30)32-8-9-36(22)24)15-2-4-16(5-3-15)25(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,18H,10-11,13-14H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267906 (4-{8-amino-3-[(2R)-4-(methoxyacetyl)morpholin-2-yl...) Show SMILES CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C25H23ClF3N7O2/c1-2-35-9-10-38-17(13-35)23-34-20(21-22(30)32-12-18(26)36(21)23)14-3-5-15(6-4-14)24(37)33-19-11-16(7-8-31-19)25(27,28)29/h3-8,11-12,17H,2,9-10,13H2,1H3,(H2,30,32)(H,31,33,37)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267907 (4-{8-amino-5-chloro-3-[(2R)-4-ethylmorpholin-2-yl]...) Show SMILES C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267908 (4-(8-amino-5-chloro-3-{(2R)-4-[(2S)-2-hydroxypropa...) Show SMILES C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267909 (4-(8-amino-5-chloro-3-{(2R)-4-[(2R)-2-hydroxypropa...) Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1(O)CC1 |r| Show InChI InChI=1S/C27H23ClF3N7O4/c28-18-12-34-22(32)21-20(36-23(38(18)21)17-13-37(9-10-42-17)25(40)26(41)6-7-26)14-1-3-15(4-2-14)24(39)35-19-11-16(5-8-33-19)27(29,30)31/h1-5,8,11-12,17,41H,6-7,9-10,13H2,(H2,32,34)(H,33,35,39)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267910 (4-(8-amino-5-chloro-3-{(2R)-4-[(1-hydroxycycloprop...) Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC(F)(F)F)CCO1 |r| Show InChI InChI=1S/C25H20ClF6N7O2/c26-17-10-35-21(33)20-19(37-22(39(17)20)16-11-38(7-8-41-16)12-24(27,28)29)13-1-3-14(4-2-13)23(40)36-18-9-15(5-6-34-18)25(30,31)32/h1-6,9-10,16H,7-8,11-12H2,(H2,33,35)(H,34,36,40)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267911 (4-{8-amino-5-chloro-3-[(2R)-4-(2,2,2-trifluoroethy...) Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C#N)n12 |r| Show InChI InChI=1S/C29H25F3N8O4/c1-28(14-43-15-28)27(42)39-8-9-44-20(13-39)25-38-22(23-24(34)36-12-19(11-33)40(23)25)16-2-4-17(5-3-16)26(41)37-21-10-18(6-7-35-21)29(30,31)32/h2-7,10,12,20H,8-9,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267912 (4-(8-amino-5-cyano-3-{(2R)-4-[(3-methyloxetan-3-yl...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C26H23ClF3N7O4/c1-40-13-20(38)36-8-9-41-17(12-36)24-35-21(22-23(31)33-11-18(27)37(22)24)14-2-4-15(5-3-14)25(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267913 (4-{8-amino-5-chloro-3-[(2R)-4-(methoxyacetyl)morph...) Show SMILES COCCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C28H27ClF3N7O5/c1-42-10-11-43-15-22(40)38-8-9-44-19(14-38)26-37-23(24-25(33)35-13-20(29)39(24)26)16-2-4-17(5-3-16)27(41)36-21-12-18(6-7-34-21)28(30,31)32/h2-7,12-13,19H,8-11,14-15H2,1H3,(H2,33,35)(H,34,36,41)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267915 (4-(8-amino-3-{(2S)-4-[(3-methyloxetan-3-yl)carbony...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1 |r| Show InChI InChI=1S/C25H21F3N8O2/c26-25(27,28)17-5-7-31-19(13-17)33-24(37)16-3-1-15(2-4-16)20-21-22(30)32-8-10-36(21)23(34-20)18-14-35(9-6-29)11-12-38-18/h1-5,7-8,10,13,18H,9,11-12,14H2,(H2,30,32)(H,31,33,37)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267916 (4-{8-amino-3-[(2R)-4-(cyanomethyl)morpholin-2-yl]i...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCC#N)CCO1 |r| Show InChI InChI=1S/C26H23F3N8O2/c27-26(28,29)18-6-8-32-20(14-18)34-25(38)17-4-2-16(3-5-17)21-22-23(31)33-9-11-37(22)24(35-21)19-15-36(10-1-7-30)12-13-39-19/h2-6,8-9,11,14,19H,1,10,12-13,15H2,(H2,31,33)(H,32,34,38)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267917 (4-{8-amino-3-[(2R)-4-(2-cyanoethyl)morpholin-2-yl]...) Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1 |r| Show InChI InChI=1S/C25H20ClF3N8O2/c26-18-12-33-22(31)21-20(35-23(37(18)21)17-13-36(8-6-30)9-10-39-17)14-1-3-15(4-2-14)24(38)34-19-11-16(5-7-32-19)25(27,28)29/h1-5,7,11-12,17H,8-10,13H2,(H2,31,33)(H,32,34,38)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267919 (4-{8-amino-3-[(2S)-4-ethylmorpholin-2-yl]imidazo[1...) Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO)CCO1 |r| Show InChI InChI=1S/C25H23ClF3N7O3/c26-18-12-32-22(30)21-20(34-23(36(18)21)17-13-35(7-9-37)8-10-39-17)14-1-3-15(4-2-14)24(38)33-19-11-16(5-6-31-19)25(27,28)29/h1-6,11-12,17,37H,7-10,13H2,(H2,30,32)(H,31,33,38)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267920 (4-{8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morp...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C27H26F3N7O4/c1-15-12-33-24(31)23-22(35-25(37(15)23)19-13-36(9-10-41-19)21(38)14-40-2)16-3-5-17(6-4-16)26(39)34-20-11-18(7-8-32-20)27(28,29)30/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267921 (4-{8-amino-3-[(2R)-4-(methoxyacetyl)morpholin-2-yl...) Show SMILES CCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C28H28F3N7O4/c1-3-41-15-22(39)37-10-11-42-20(14-37)26-36-23(24-25(32)34-13-16(2)38(24)26)17-4-6-18(7-5-17)27(40)35-21-12-19(8-9-33-21)28(29,30)31/h4-9,12-13,20H,3,10-11,14-15H2,1-2H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267922 (4-{8-amino-3-[(2R)-4-(ethoxyacetyl)morpholin-2-yl]...) Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C(F)F)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H22F5N7O3/c1-13-11-34-22(32)20-19(36-23(38(13)20)17-12-37(8-9-41-17)25(40)21(27)28)14-2-4-15(5-3-14)24(39)35-18-10-16(6-7-33-18)26(29,30)31/h2-7,10-11,17,21H,8-9,12H2,1H3,(H2,32,34)(H,33,35,39)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267923 (4-{8-amino-3-[(2R)-4-(difluoroacetyl)morpholin-2-y...) Show SMILES COCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C27H28F3N7O3/c1-16-14-33-24(31)23-22(35-25(37(16)23)20-15-36(9-11-39-2)10-12-40-20)17-3-5-18(6-4-17)26(38)34-21-13-19(7-8-32-21)27(28,29)30/h3-8,13-14,20H,9-12,15H2,1-2H3,(H2,31,33)(H,32,34,38)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267924 (4-{8-amino-3-[(2R)-4-(2-methoxyethyl)morpholin-2-y...) Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(CCO)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H26F3N7O3/c1-15-13-32-23(30)22-21(34-24(36(15)22)19-14-35(8-10-37)9-11-39-19)16-2-4-17(5-3-16)25(38)33-20-12-18(6-7-31-20)26(27,28)29/h2-7,12-13,19,37H,8-11,14H2,1H3,(H2,30,32)(H,31,33,38)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267925 (4-{8-amino-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-y...) Show SMILES CCOCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C28H30F3N7O3/c1-3-40-12-10-37-11-13-41-21(16-37)26-36-23(24-25(32)34-15-17(2)38(24)26)18-4-6-19(7-5-18)27(39)35-22-14-20(8-9-33-22)28(29,30)31/h4-9,14-15,21H,3,10-13,16H2,1-2H3,(H2,32,34)(H,33,35,39)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267926 (4-{8-amino-3-[(2R)-4-(2-ethoxyethyl)morpholin-2-yl...) Show SMILES COCCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C26H25ClF3N7O3/c1-39-10-8-36-9-11-40-18(14-36)24-35-21(22-23(31)33-13-19(27)37(22)24)15-2-4-16(5-3-15)25(38)34-20-12-17(6-7-32-20)26(28,29)30/h2-7,12-13,18H,8-11,14H2,1H3,(H2,31,33)(H,32,34,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267927 (4-{8-amino-5-chloro-3-[(2R)-4-(2-methoxyethyl)morp...) Show SMILES C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12 |r| Show InChI InChI=1S/C27H26F3N7O4/c1-14-12-33-23(31)22-21(35-24(37(14)22)19-13-36(9-10-41-19)26(40)15(2)38)16-3-5-17(6-4-16)25(39)34-20-11-18(7-8-32-20)27(28,29)30/h3-8,11-12,15,19,38H,9-10,13H2,1-2H3,(H2,31,33)(H,32,34,39)/t15-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair

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